# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/51325465-8072-43c1-ac4a-e23d55f42484/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for ZnS / P3m1 (156) / materials id 556155](https://mdr.nims.go.jp/datasets/904be02d-2965-4622-b892-8430832e2ded)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  20</c><c>Zn</c><c>     65.39000000</c><c>     12.00000000</c><c>  PAW_PBE Zn 06Sep2000                  </c></rc>    <rc><c>  20</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 359.739900     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/POSCAR-unitcell Zn S   1.0     3.7860066799999998    0.0000000000000000    0.0000000000000000    -1.8930033399999999    3.2787779700000002    0.0000000000000000     0.0000000000000000    0.0000000000000000   61.8686264500000007 Zn S  20  20Direct   0.0000000000000000  0.0000000000000000  0.5999879100000001   0.6666666700000000  0.3333333300000000  0.5500379500000000   0.3333333300000000  0.6666666700000000  0.3499513700000000   0.3333333300000000  0.6666666700000000  0.0500445300000000   0.3333333300000000  0.6666666700000000  0.8000248800000000   0.0000000000000000  0.0000000000000000  0.3999905300000000   0.6666666700000000  0.3333333300000000  0.4499446400000000   0.6666666700000000  0.3333333300000000  0.1000168300000000   0.0000000000000000  0.0000000000000000  0.7000886700000000   0.3333333300000000  0.6666666700000000  0.6500436800000000   0.6666666700000000  0.3333333300000000  0.2499354400000000   0.6666666700000000  0.3333333300000000  0.8999709200000000   0.3333333300000000  0.6666666700000000  0.1999666600000000   0.0000000000000000  0.0000000000000000  0.9999966600000000   0.3333333300000000  0.6666666700000000  0.9499347900000000   0.0000000000000000  0.0000000000000000  0.1499897900000000   0.0000000000000000  0.0000000000000000  0.8499980900000000   0.0000000000000000  0.0000000000000000  0.2998901500000000   0.6666666700000000  0.3333333300000000  0.7500527600000000   0.3333333300000000  0.6666666700000000  0.4999982000000000   0.6666666700000000  0.3333333300000000  0.4124830700000000   0.0000000000000000  0.0000000000000000  0.1125125000000000   0.0000000000000000  0.0000000000000000  0.9624511900000000   0.3333333300000000  0.6666666700000000  0.0125693500000000   0.3333333300000000  0.6666666700000000  0.9124703600000000   0.6666666700000000  0.3333333300000000  0.7125778700000001   0.0000000000000000  0.0000000000000000  0.6626146500000001   0.0000000000000000  0.0000000000000000  0.3625189000000000   0.0000000000000000  0.0000000000000000  0.2624295300000000   0.3333333300000000  0.6666666700000000  0.7625480099999999   0.6666666700000000  0.3333333300000000  0.5125666099999999   0.6666666700000000  0.3333333300000000  0.0625386100000000   0.6666666700000000  0.3333333300000000  0.2124601000000000   0.3333333300000000  0.6666666700000000  0.4624564200000000   0.3333333300000000  0.6666666700000000  0.3124064200000000   0.3333333300000000  0.6666666700000000  0.1624880100000000   0.0000000000000000  0.0000000000000000  0.8125207900000000   0.3333333300000000  0.6666666700000000  0.6125009600000000   0.6666666700000000  0.3333333300000000  0.8624940300000000   0.0000000000000000  0.0000000000000000  0.5625281900000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 359.739900     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     6     6     1 0.000 0.000 0.000